[2-[(3-azanyl-3-oxidanylidene-propyl)-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylcarbonylbenzoate

Systemtic Name: [2-[(3-azanyl-3-oxidanylidene-propyl)-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylcarbonylbenzoate Openeye Name: [2-(N-(3-amino-3-oxo-propyl)-4-fluoro-anilino)-2-oxo-ethyl] 2-(thiophene-2-carbonyl)benzoate CAS Name: 2-[oxo(thiophen-2-yl)methyl]benzoic acid [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate Traditional Name: 2-(2-thenoyl)benzoic acid [2-(N-(3-amino-3-keto-propyl)-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C23H19FN2O5S MolecularWeight: 454.470763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=CC=CS2)C(=O)OCC(=O)N(CCC(=O)N)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=CC=CS2)C(=O)OCC(=O)N(CCC(=O)N)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H19FN2O5S/c24-15-7-9-16(10-8-15)26(12-11-20(25)27)21(28)14-31-23(30)18-5-2-1-4-17(18)22(29)19-6-3-13-32-19/h1-10,13H,11-12,14H2,(H2,25,27)